| SpectraBase Spectrum ID |
93f1tEEyYhF |
| Name |
1,3-Butane-2-d-diol, 3-methyl-, 1-(4-methylbenzenesulfonate), (R)- |
| Alternate Name(s) |
(R)-[2-(2)H]-3-hydroxy-3-methylbutyl toluene-p-sulphonate |
| CAS Registry Number |
117138-02-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H17DO4S |
| InChI |
InChI=1S/C12H18O4S/c1-9-4-6-10(7-5-9)17(15,16)11(13)8-12(2,3)14/h4-7,11,13-14H,8H2,1-3H3/t11-/m1/s1/i8D/t8?,11- |
| InChIKey |
OYASCCSFSLJGPR-HGANZHLNSA-N |
| Molecular Weight |
259.338 g/mol |
| SMILES |
OC(C([C@@](S(c1ccc(cc1)C)(=O)=O)(O)[H])[2D])(C)C |
| SPLASH |
splash10-022a-9200000000-f5c7e6bf822bf2a88985 |
| Source of Spectrum |
KC-1987-2847-6 |
| Wiley ID |
1261399 |
